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CAS No.: | 850991-69-4 |
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Name: | 5-Methoxypyridine-3-boronic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H8BNO3 |
Molecular Weight: | 152.945 |
Synonyms: | Boronicacid, (5-methoxy-3-pyridinyl)- (9CI);(3-Methoxypyridin-5-yl)boronic acid;(5-Methoxy-3-pyridinyl)boronic acid;3-Methoxypyridine-5-boronic acid; |
EINECS: | 640-469-4 |
Density: | 1.24 g/cm3 |
Boiling Point: | 356.2 °C at 760 mmHg |
Flash Point: | 169.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 62.58000 |
LogP: | -1.23000 |
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The systematic name of 5-Methoxypyridine-3-boronic acid is (5-methoxypyridin-3-yl)boronic acid. With the CAS registry number 850991-69-4, it is also named as Boronic acid,B-(5-methoxy-3-pyridinyl)-. The product's categories are Blocks; Boronic Acids; Pyridines; Organoborons; Pyridine. In addition, its molecular formula is C6H8BNO3 and molecular weight is 152.94.
The other characteristics of 5-Methoxypyridine-3-boronic acid can be summarized as: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 14.84×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 169.2 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 356.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1cc(B(O)O)cnc1)C
(2)InChI: InChI=1/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(3)InChIKey: ISDFOFZTZUILPE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(5)Std. InChIKey: ISDFOFZTZUILPE-UHFFFAOYSA-N